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	hartrees
Energy at 0K	-304.903123
Energy at 298.15K	-304.905377
HF Energy	-304.903123
Nuclear repulsion energy	123.437927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1380	1332	169.88
2	A₁	863	832	203.44
3	A₁	609	588	37.26
4	B₁	775	747	12.58
5	B₂	1871	1805	429.08
6	B₂	580	559	3.13

Atom	y (Å)	z (Å)
N1	0.000	-0.181
F2	0.000	1.266
O3	1.093	-0.633
O4	-1.093	-0.633

	N1	F2	O3	O4
N1		1.4474	1.1824	1.1824
F2	1.4474		2.1907	2.1907
O3	1.1824	2.1907		2.1858
O4	1.1824	2.1907	2.1858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.434		F2	N1	O4	112.434
O3	N1	O4	135.131

All results from a given calculation for FNO₂ (Nitryl fluoride)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.752
2	F	-0.186
3	O	-0.283
4	O	-0.283

	x	y	z	Total
	0.000	0.000	-0.117	0.117
CHELPG
AIM
ESP

<r²>	53.063
(<r²>)^1/2	7.284

All results from a given calculation for FNO2 (Nitryl fluoride)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for FNO₂ (Nitryl fluoride)